[(1R)-1-phenylethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazole-5-carboxylate

Systemtic Name: [(1R)-1-phenylethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1H-imidazole-5-carboxylate Openeye Name: [(1R)-1-phenylethyl] 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-5-carboxylate CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1H-imidazole-5-carboxylic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-5-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-5-carboxylic acid [(1R)-1-phenylethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C2=C(N=CN2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC(=O)C2=C(N=CN2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H21N3O3/c1-15(16-7-3-2-4-8-16)28-22(27)20-19(23-14-24-20)21(26)25-12-11-17-9-5-6-10-18(17)13-25/h2-10,14-15H,11-13H2,1H3,(H,23,24)/t15-/m1/s1